1-methyl-2,5-dihydrophosphole

C5H9P — CID 567830

IUPAC1-methyl-2,5-dihydrophosphole
SMILESCP1CC=CC1
InChIInChI=1S/C5H9P/c1-6-4-2-3-5-6/h2-3H,4-5H2,1H3
InChIKeyIKHBOSVJTCCGBL-UHFFFAOYSA-N
MW100.10 g/mol
LogP1.67
Rot. Bonds

About 1-methyl-2,5-dihydrophosphole

1-methyl-2,5-dihydrophosphole (PubChem CID 567830) has the molecular formula C5H9P and a molecular weight of 100.10 g/mol. Its IUPAC name is 1-methyl-2,5-dihydrophosphole.

Molecular Properties

Compound Name1-methyl-2,5-dihydrophosphole
PubChem CID567830
Molecular FormulaC5H9P
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name1-methyl-2,5-dihydrophosphole
SMILESCP1CC=CC1
InChIInChI=1S/C5H9P/c1-6-4-2-3-5-6/h2-3H,4-5H2,1H3
InChIKeyIKHBOSVJTCCGBL-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-dihydrophosphole?
The IUPAC name of 1-methyl-2,5-dihydrophosphole (CID 567830) is 1-methyl-2,5-dihydrophosphole.
What is the SMILES notation for 1-methyl-2,5-dihydrophosphole?
The canonical SMILES for 1-methyl-2,5-dihydrophosphole is CP1CC=CC1.
What is the InChIKey of 1-methyl-2,5-dihydrophosphole?
The InChIKey is IKHBOSVJTCCGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9P/c1-6-4-2-3-5-6/h2-3H,4-5H2,1H3.
What are the key properties of 1-methyl-2,5-dihydrophosphole?
1-methyl-2,5-dihydrophosphole has a molecular weight of 100.10 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-dihydrophosphole is sourced from PubChem (CID 567830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).